[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCN(C2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCN(C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O5/c1-27-19-9-8-17(12-20(19)28-2)22(26)29-15-21(25)23-18-10-11-24(14-18)13-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,25)